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Catalog Number | ACM4449518-1 |
CAS Number | 4449-51-8 |
Structure | ![]() |
Synonyms | 11-Deoxojervine |
IUPAC Name | (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-Tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol |
Molecular Weight | 411.6 |
Molecular Formula | C27H41NO2 |
Canonical SMILES | CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1 |
InChI | InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 |
InChI Key | QASFUMOKHFSJGL-LAFRSMQTSA-N |
Melting Point | 224-227 °C |
Purity | 99%+(HPLC) |
Appearance | White powder |
Storage | Store at 4 °C, sealed, away from light (valid for 2 years under this condition). |
Complexity | 801 |
Exact Mass | 411.313729551 |
Heavy Atom Count | 30 |
Isomeric SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 |
Monoisotopic Mass | 411.313729551 |
Topological Polar Surface Area | 41.5Ų |
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